(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride

C12H20ClN3S — CID 120846033

IUPAC(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2scnc2C2CC2)C1
InChIInChI=1S/C12H19N3S.ClH/c13-10-2-1-5-15(6-10)7-11-12(9-3-4-9)14-8-16-11;/h8-10H,1-7,13H2;1H/t10-;/m1./s1
InChIKeyWXNRTHQIGFJCMD-HNCPQSOCSA-N
MW273.83 g/mol
LogP2.37
Rot. Bonds3

About (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride

(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 120846033) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
PubChem CID120846033
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC Name(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCCN(Cc2scnc2C2CC2)C1
InChIInChI=1S/C12H19N3S.ClH/c13-10-2-1-5-15(6-10)7-11-12(9-3-4-9)14-8-16-11;/h8-10H,1-7,13H2;1H/t10-;/m1./s1
InChIKeyWXNRTHQIGFJCMD-HNCPQSOCSA-N
XLogP2.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
CID 120846309
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834719
4-cyclopropyl-5-(3,9-diazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3-thiazole;hydrochloride
CID 120845757
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836180
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
(3S,4R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846852
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120840116
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
CID 120836978
(3R)-1-(thiadiazol-5-ylmethyl)piperidin-3-amine
CID 130600117
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843077

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride (CID 120846033) is (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride is Cl.N[C@@H]1CCCN(Cc2scnc2C2CC2)C1.
What is the InChIKey of (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is WXNRTHQIGFJCMD-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H19N3S.ClH/c13-10-2-1-5-15(6-10)7-11-12(9-3-4-9)14-8-16-11;/h8-10H,1-7,13H2;1H/t10-;/m1./s1.
What are the key properties of (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 273.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120846033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).